PC-Compounds ::= {
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          "32 -0.01",
          "33 0.42",
          "34 -0.14",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.43",
          "5 -0.02",
          "50 0.37",
          "58 0.15",
          "59 0.15",
          "6 -0.57",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.81",
          "70 0.15",
          "8 -0.73",
          "9 0.05"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "2.3.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value fval { 122, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "2.0.4",
          software "Shape TK",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "12",
          "1 10 acceptor",
          "1 3 acceptor",
          "1 6 acceptor",
          "1 7 cation",
          "1 8 donor",
          "1 9 cation",
          "3 16 17 18 hydrophobe",
          "5 2 25 28 30 31 rings",
          "5 5 10 26 29 32 rings",
          "5 9 20 22 23 24 rings",
          "6 34 35 36 37 38 39 rings",
          "6 7 11 12 13 14 15 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}